[2-[acetyl(methyl)amino]phenyl]methyl acetate

C12H15NO3 — CID 13244169

IUPAC[2-[acetyl(methyl)amino]phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1N(C)C(C)=O
InChIInChI=1S/C12H15NO3/c1-9(14)13(3)12-7-5-4-6-11(12)8-16-10(2)15/h4-7H,8H2,1-3H3
InChIKeyDHGYEBFIIZKZFU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.73
Rot. Bonds3

About [2-[acetyl(methyl)amino]phenyl]methyl acetate

[2-[acetyl(methyl)amino]phenyl]methyl acetate (PubChem CID 13244169) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [2-[acetyl(methyl)amino]phenyl]methyl acetate.

Molecular Properties

Compound Name[2-[acetyl(methyl)amino]phenyl]methyl acetate
PubChem CID13244169
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[2-[acetyl(methyl)amino]phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1N(C)C(C)=O
InChIInChI=1S/C12H15NO3/c1-9(14)13(3)12-7-5-4-6-11(12)8-16-10(2)15/h4-7H,8H2,1-3H3
InChIKeyDHGYEBFIIZKZFU-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopropyl)phenyl]-N-methylacetamide
CID 143582453
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
(2-sulfanylphenyl)methyl acetate
CID 118370744
(2-acetyloxyphenyl)methyl acetate
CID 10889107
(2-propylphenyl)methyl acetate
CID 18363688
benzyl acetate
CID 8785
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
CID 102370759
[2-(2-acetylpyrrol-1-yl)phenyl]methyl acetate
CID 14926381
2-(acetyloxymethyl)benzenesulfonic acid
CID 154193734
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161

Frequently Asked Questions

What is the IUPAC name of [2-[acetyl(methyl)amino]phenyl]methyl acetate?
The IUPAC name of [2-[acetyl(methyl)amino]phenyl]methyl acetate (CID 13244169) is [2-[acetyl(methyl)amino]phenyl]methyl acetate.
What is the SMILES notation for [2-[acetyl(methyl)amino]phenyl]methyl acetate?
The canonical SMILES for [2-[acetyl(methyl)amino]phenyl]methyl acetate is CC(=O)OCc1ccccc1N(C)C(C)=O.
What is the InChIKey of [2-[acetyl(methyl)amino]phenyl]methyl acetate?
The InChIKey is DHGYEBFIIZKZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)13(3)12-7-5-4-6-11(12)8-16-10(2)15/h4-7H,8H2,1-3H3.
What are the key properties of [2-[acetyl(methyl)amino]phenyl]methyl acetate?
[2-[acetyl(methyl)amino]phenyl]methyl acetate has a molecular weight of 221.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(methyl)amino]phenyl]methyl acetate is sourced from PubChem (CID 13244169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).